Chem
J-GLOBAL ID:200907049244649288   Nikkaji number:J1.098.036D

N-(3,3-Dimethyl-1,2,3,4-tetrahydroquinoline-8-ylsulfonyl)-3-(2-benzothiazolyl)-L-alanine

N-(3,3-ジメチル-1,2,3,4-テトラヒドロキノリン-8-イルスルホニル)-3-(2-ベンゾチアゾリル)-L-アラニン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C21H23N3O4S2
Molecular formula furigana: C21-H23-N3-O4-S2
Molecular weight: 445.550
InChI: InChI=1S/C21H23N3O4S2/c1-21(2)11-13-6-5-9-17(19(13)22-12-21)30(27,28)24-15(20(25)26)10-18-23-14-7-3-4-8-16(14)29-18/h3-9,15,22,24H,10-12H2,1-2H3,(H,25,26)/t15-/m0/s1
InChI key: DURQWINUCBCFOE-HNNXBMFYSA-N
SMILES: CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)O
Systematic name  (3):
  • N-(3,3-ジメチル-1,2,3,4-テトラヒドロキノリン-8-イルスルホニル)-3-(2-ベンゾチアゾリル)-L-アラニン
  • (2S)-3-(1,3-ベンゾチアゾール-2-イル)-2-(3,3-ジメチル-1,2,3,4-テトラヒドロキノリン-8-スルホンアミド)プロパン酸
  • (2S)-3-(1,3-benzothiazol-2-yl)-2-(3,3-dimethyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)propanoic acid
Other name (1):
  • N-(3,3-Dimethyl-1,2,3,4-tetrahydroquinoline-8-ylsulfonyl)-3-(2-benzothiazolyl)-L-alanine
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